Geometry & MOs

Info

ID:	47006
PubChem CID:	10528902
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	485.134403
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	3.19
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(dimethylamino)phenyl]-1-[5-(phenothiazin-10-ylmethyl)-1,3,4-thiadiazol-2-yl]azetidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2)C#N)NC(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations